SCHEMBL11520305

SCHEMBL11520305

O=[N+]([O-])c1ccc([Se][Se]c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ACHE P22303 1/20 0.54
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA3 P07451 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ CA6 P23280 2/20 0.48
▸ CA5A P35218 2/20 0.48
▸ CA7 P43166 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27833873 0.91 ALDH1A1 (0.62) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL22567 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL27909482 0.83 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHELMNAMEN1
Nitric Acid SCHEMBL27633027 0.80 CES1 (0.64) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL29010989 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL27986433 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHELMNAMEN1
Water SCHEMBL27300423 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHELMNAMEN1
Ammonia Solution, Strong SCHEMBL27511010 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL27813527 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHELMNAMEN1
SCHEMBL27844585 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ACHELMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178254-B Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-10-03 — — CN claimed
CN-116178254-A Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-05-30 — — CN claimed
CN-119823010-A Synthesis method of 1, 2-double hetero atom olefin derivative 桂林理工大学 2025-04-15 — — CN disclosed
CN-118994182-A Seleno-, thio-or oxo-narcotine derivatives, their synthesis and their use in tumour therapy 华东理工大学 2024-11-22 — — CN disclosed
CN-116178254-B Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-10-03 — — CN disclosed
CN-116178254-A Method for preparing 2-trifluoromethyl quinoline 南通大学 2023-05-30 — — CN disclosed
US-20230130671-A1 Metal-Organic Chalcogenolates MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-04-27 — — US disclosed
CN-113636964-B Green preparation method of aryl diselenide organic selenium compound 浙江工业大学 2023-03-28 — — CN disclosed
CN-111848488-B Method for synthesizing 3-selenoindole derivative 温州医科大学 2022-12-27 — — CN disclosed
CN-113636964-A Green preparation method of aryl diselenide organic selenium compound 浙江工业大学 2021-11-12 — — CN disclosed
CN-111848488-A Method for synthesizing 3-selenoindole derivative 温州医科大学 2020-10-30 — — CN disclosed
US-4177071-A HIGH SENSITIVITY TO PENTRATING RADIATION; INSENSITIVE TO FORMATION OF PRESSURE MARKS AGFA-GEVAERT, N.V. (BE) 1979-12-04 — — US disclosed
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